N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide

C13H13F3N2O3 — CID 14011285

IUPACN-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C13H13F3N2O3/c1-8(19)17-6-11-7-18(12(20)21-11)10-4-2-9(3-5-10)13(14,15)16/h2-5,11H,6-7H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyMIAVDIYDERRKMV-NSHDSACASA-N
MW302.25 g/mol
LogP2.17
Rot. Bonds3

About N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14011285) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14011285
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC NameN-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C13H13F3N2O3/c1-8(19)17-6-11-7-18(12(20)21-11)10-4-2-9(3-5-10)13(14,15)16/h2-5,11H,6-7H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyMIAVDIYDERRKMV-NSHDSACASA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14011285) is N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is MIAVDIYDERRKMV-NSHDSACASA-N. The full InChI is InChI=1S/C13H13F3N2O3/c1-8(19)17-6-11-7-18(12(20)21-11)10-4-2-9(3-5-10)13(14,15)16/h2-5,11H,6-7H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 302.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-2-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14011285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).